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Ligand

NameCHEMBL3299113
Molecular formulaC18H17NO3
IUPAC name2-[[(E)-5-phenylpent-2-en-4-ynoyl]amino]cyclohexene-1-carboxylic acid
Molecular weight295.338
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50022066
Inchi KeyOSXLZFYQTTVPCW-NTUHNPAUSA-N
Inchi IDInChI=1S/C18H17NO3/c20-17(13-7-4-10-14-8-2-1-3-9-14)19-16-12-6-5-11-15(16)18(21)22/h1-3,7-9,13H,5-6,11-12H2,(H,19,20)(H,21,22)/b13-7+
PubChem CID90645405
ChEMBLCHEMBL3299113
IUPHARN/A
BindingDB50022066
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
249612Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363
249611Hydroxycarboxylic acid receptor 3P49019HCAR3Homo sapiens (Human)387

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